UCSF

ZINC05316712

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 18 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 7.41 -7.17 0 5 0 66 251.282 8
Lo Low (pH 4.5-6) 1.79 7.68 -34.48 1 5 1 67 252.29 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )